3-[5-bromanyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropanoic acid

Systemtic Name: 3-[5-bromanyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropanoic acid Openeye Name: 3-[5-bromo-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropanoic acid CAS Name: 3-[[5-bromo-1-(4-methoxyphenyl)sulfonyl-3-indolyl]oxy]propanoic acid IUPAC Name: 3-[5-bromo-1-(4-methoxyphenyl)sulfonylindol-3-yl]oxypropanoic acid Traditional Name: 3-[5-bromo-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropionic acid Formula: C18H16BrNO6S MolecularWeight: 454.29174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)OCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)OCCC(=O)O

InChI

InChI=1S/C18H16BrNO6S/c1-25-13-3-5-14(6-4-13)27(23,24)20-11-17(26-9-8-18(21)22)15-10-12(19)2-7-16(15)20/h2-7,10-11H,8-9H2,1H3,(H,21,22)